0 B12R2.252 O=C(O)C1=CC2=C(C=CN2)S1 W14888 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 61268 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 F12380 [0,0,0,0,0,0|1,1,0]=2 3 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 C76478 [0,0,0,0,0,0|4,0,0]=4 4 B11R2.15 OCC1=CC2=C(C=CS2)S1 93745 [1,0,0,0,0,0|1,1,1]=4 5 B13R2.400 O=C(O)C1=CC2=C(C=C(Cl)S2)N1 O10724 [0,1,0,0,0,0|0,1,0]=2 6 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 F20567 [0,1,0,0,0,0|1,1,0]=3 7 B13R2.531 COC(=O)C1=CC2=C(N1)SC=C2 30265 [0,1,0,0,0,0|2,0,0]=3 8 B13R2.531 COC(=O)C1=CC2=C(N=CS2)S1 D95083 [0,1,0,0,0,0|2,1,0]=4 9 B13R2.531 COC(=O)C1=CC2=CSC=C2S1 C72778 [0,1,0,0,0,0|3,0,0]=4 10 B13R2.3678 O=C(O)C1=CC2=C(N1)C(Br)=CO2 C90707 [0,1,0,0,0,0|0,0,0]=1 11 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O F52519 [0,0,1,0,0,0|0,1,2]=4 12 B11R1.124 COCC1=CNC(C(=O)O)=C1 C72930 [0,0,1,0,0,0|2,0,1]=4 13 B13R2.430 CC(=O)C1=CC2=C(C=C1)OC=C2 73876 [0,0,0,0,0,1|2,0,0]=3 14 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 37224 [0,0,0,0,0,1|3,0,0]=4 15 B13R2.430 O=C(O)C1=CC2=C(C=C1)CCO2 35217 [0,0,0,0,0,1|1,0,2]=4 16 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 25581 [0,0,0,0,0,1|2,0,0]=3 17 B13R2.430 O=C(O)C1=CC2=C(C=C1)SC=C2 F51397 [0,0,0,0,0,1|1,1,0]=3 18 B13R2.430 O=C(O)C1=CC2=C(C=CS2)N=C1 76799 [0,0,0,0,0,1|0,1,1]=3 19 B13R2.430 O=C(O)C1=CC2=C(C=N1)N=CS2 F18587 [0,0,0,0,0,1|1,1,1]=4 20 B13R2.430 O=C(O)C1=CC2=C(N=CS2)N=C1 D85435 [0,0,0,0,0,1|1,1,1]=4 21 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 SC1421 [0,0,0,0,0,1|2,0,1]=4 22 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 68019 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 81216 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 87400 [0,0,0,0,0,1|3,0,0]=4 25 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 87403 [0,0,0,0,0,1|3,0,0]=4 26 B13R2.430 O=C(O)C1=CN=C2C=CNC2=C1 P10766 [0,0,0,0,0,1|1,0,1]=3 27 B13R2.430 O=C(O)C1=CN=C2C=COC2=C1 S11662 [0,0,0,0,0,1|0,0,1]=2 28 B13R2.430 O=C(O)C1=CN=C2C=NNC2=C1 68327 [0,0,0,0,0,1|2,0,1]=4 29 B13R2.430 O=C(O)C1=CN=C2NC=NC2=C1 36161 [0,0,0,0,0,1|2,0,1]=4 30 B13R2.430 O=C(O)C1=CN=C2NN=CC2=C1 86496 [0,0,0,0,0,1|3,0,0]=4 31 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 F16682 [0,0,0,0,0,1|2,0,1]=4 32 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 38388 [0,0,0,0,0,1|1,0,1]=3 33 B13R2.430 O=C(O)C1=NC2=C(C=C1)NN=C2 68324 [0,0,0,0,0,1|2,0,1]=4 34 B13R2.430 O=C(O)C1=NC2=C(N=C1)NC=C2 P21027 [0,0,0,0,0,1|1,0,1]=3 35 B13R2.430 O=C(O)C1=NC2=CC=NN2C=C1 74140 [0,0,0,0,0,1|2,0,1]=4 36 B13R2.430 O=C(O)C1=NC=C2NC=CC2=C1 27107 [0,0,0,0,0,1|2,0,0]=3 37 B13R2.430 O=C(O)C1=NC=C2NN=CC2=C1 P12245 [0,0,0,0,0,1|3,0,0]=4 38 B13R2.430 O=C(O)C1=NC=C2OC=CC2=C1 27620 [0,0,0,0,0,1|1,0,0]=2 39 B13R2.430 O=C(O)C1=NN2C=CN=C2C=C1 27357 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.430 O=[N+]([O-])C1=CC2=C(C=C1)OC=C2 W12159 [0,0,0,0,0,1|2,0,1]=4 41 B13R2.435 NC(=O)C1=CC2=C(C=CC=C2)N1 F53644 [0,0,0,0,0,1|2,0,0]=3 42 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 P15923 [0,0,0,0,0,1|2,0,0]=3 43 B13R2.435 NC(=S)C1=CC2=C(C=CC=C2)N1 D97587 [0,0,0,0,0,1|2,1,0]=4 44 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)C1 AC1335 [0,0,0,0,0,1|2,0,0]=3 45 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 37347 [0,0,0,0,0,1|2,0,0]=3 46 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)S1 81378 [0,0,0,0,0,1|2,0,0]=3 47 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)O1 87399 [0,0,0,0,0,1|2,0,0]=3 48 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 87593 [0,0,0,0,0,1|2,0,0]=3 49 B13R2.435 O=C(O)C1=CC2=C(C=NC=N2)N1 P11993 [0,0,0,0,0,1|1,0,0]=2 50 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 AB9986 [0,0,0,0,0,1|1,0,2]=4 51 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 P11142 [0,0,0,0,0,1|2,0,0]=3 52 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 68599 [0,0,0,0,0,1|2,0,0]=3 53 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 L10193 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.435 O=C(O)C1=NC2=C(C=CC=C2)S1 25340 [0,0,0,0,0,1|2,0,1]=4 55 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 C16851 [0,0,0,0,0,1|2,0,0]=3 56 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 P17966 [0,0,0,0,0,1|1,0,2]=4 57 B13R2.435 OB(O)C1=CC2=C(N=CC=C2)N1 P15276 [0,0,0,0,0,1|2,0,1]=4 58 B10R1.66 O=C(O)\C=C\C1=NC=CS1 AC7829 [1,0,1,0,0,0|1,1,0]=4 59 B10R1.31 N#CC1=CC=C(C(=O)O)N1 C16499 [1,0,1,0,0,0|1,0,1]=4 60 B10R1.58 CC1=C(C)NC(C(=O)O)=C1 F30544 [1,0,1,0,0,0|0,0,2]=4 61 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 W17455 [1,0,1,0,0,0|2,0,0]=4 62 B10R2.2 O=C1NC2=C(N1)SC=C2 C76269 [2,0,0,0,0,0|1,1,0]=4 63 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CO1 D80703 [0,1,1,0,0,0|0,0,2]=4 64 B12R1.389 CC(=O)NC1=CNC(C(=O)O)=C1 75997 [0,1,1,0,0,0|1,0,1]=4 65 B12R2.30 CN1C(C=O)=CC2=C1C=CS2 AT18495 [1,1,0,0,0,0|0,1,0]=3 66 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=C2)N1 I11052 [0,1,0,0,0,1|2,0,0]=4 67 B14R2.601 O=C(O)C1=CC2=C(C=C1)C=C(Br)N2 D80015 [0,1,0,0,0,1|2,0,0]=4 68 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(O)O2 F50791 [0,1,0,0,0,1|2,0,0]=4 69 B14R2.601 O=C(O)C1=CC2=C(C=C1)OC(Cl)=C2 D85341 [0,1,0,0,0,1|1,0,0]=3 70 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=C1 79353 [0,1,0,0,0,1|2,0,0]=4 71 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=N1 I10578 [0,1,0,0,0,1|2,0,0]=4 72 B14R2.624 O=C(O)C1=C(Cl)C=C2C=CNC2=C1 P11949 [0,1,0,0,0,1|2,0,0]=4 73 B14R2.624 O=C(O)C1=C(F)C=C2C=CNC2=C1 I11067 [0,1,0,0,0,1|2,0,0]=4 74 B14R2.624 O=C(O)C1=C(F)C=C2NC=CC2=C1 W17101 [0,1,0,0,0,1|2,0,0]=4 75 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 31916 [0,1,0,0,0,1|2,0,0]=4 76 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 W18095 [0,1,0,0,0,1|2,0,0]=4 77 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 68028 [0,1,0,0,0,1|1,0,0]=3 78 B14R2.966 COC(=O)C1=CC2=C(C=CS2)C=C1 F18424 [0,1,0,0,0,1|1,1,0]=4 79 B14R2.966 COC(=O)C1=CC2=C(C=N1)SC=C2 P21010 [0,1,0,0,0,1|1,1,0]=4 80 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 38465 [0,1,0,0,0,1|1,0,1]=4 81 B14R2.966 COC(=O)C1=NC2=C(C=C1)NC=C2 52590 [0,1,0,0,0,1|1,0,1]=4 82 B14R2.966 COC(=O)C1=NC2=C(C=C1)OC=C2 96803 [0,1,0,0,0,1|0,0,1]=3 83 B14R2.966 COC(=O)C1=NC2=C(N=C1)NC=C2 P11916 [0,1,0,0,0,1|1,0,1]=4 84 B14R2.966 COC(=O)C1=NC=C2C=CNC2=C1 38036 [0,1,0,0,0,1|1,0,1]=4 85 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OC=C2 30233 [0,1,0,0,0,1|2,0,0]=4 86 B14R2.5719 CC1=CNC2=C1C=CC(C(=O)O)=C2 80118 [0,1,0,0,0,1|2,0,0]=4 87 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CN=C21 37404 [0,1,0,0,0,1|2,0,0]=4 88 B14R2.5998 CC1=C(C(=O)O)C=NC2=C1C=CN2 I10572 [0,1,0,0,0,1|2,0,0]=4 89 B14R2.5998 O=C(O)C1=C(Cl)C2=C(C=CS2)N=C1 P10579 [0,1,0,0,0,1|0,1,1]=4 90 B14R2.5998 O=C(O)C1=C(F)C2=C(C=C1)NC=C2 F13711 [0,1,0,0,0,1|2,0,0]=4 91 B14R2.5998 O=C(O)C1=C(F)C2=C(C=CN2)C=C1 76410 [0,1,0,0,0,1|2,0,0]=4 92 B14R2.5998 O=C(O)C1=C(F)C2=C(N=C1)NC=C2 P16088 [0,1,0,0,0,1|2,0,0]=4 93 B14R2.5998 O=C(O)C1=C(O)C2=C(C=C1)OC=C2 W11088 [0,1,0,0,0,1|1,0,0]=3 94 B14R2.5998 O=C(O)C1=CNC2=CC=NN2C1=O W17067 [0,1,0,0,0,1|2,0,0]=4 95 B14R2.8824 CC1=C2NC=CC2=CC(C(=O)O)=C1 72365 [0,1,0,0,0,1|2,0,0]=4 96 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 86992 [0,1,0,0,0,1|2,0,0]=4 97 B14R2.8824 O=C(O)C1=CC(Br)=C2OC=CC2=C1 P17986 [0,1,0,0,0,1|1,0,0]=3 98 B14R2.8824 O=C(O)C1=CC(Cl)=C2C=CNC2=C1 80370 [0,1,0,0,0,1|2,0,0]=4 99 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 72086 [0,1,0,0,0,1|2,0,0]=4 100 B14R2.24358 O=C(O)C1=CC2=C(N=C1)NC=C2Br P12152 [0,1,0,0,0,1|2,0,0]=4 101 B14R2.24358 O=C(O)C1=CC2=C(N=C1)NC=C2I P10983 [0,1,0,0,0,1|2,0,0]=4 102 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CC=C2 P11863 [0,1,0,0,0,1|1,0,0]=3 103 B14R2.450 CN1C(C(=O)O)=NC2=C1C=CC=C2 C15271 [0,1,0,0,0,1|2,0,0]=4 104 B14R2.450 NC1=C(C(=O)O)SC2=C1C=CC=C2 D96951 [0,1,0,0,0,1|2,0,0]=4 105 B14R2.450 NC1=C(C(=O)O)SC2=NC=CN=C21 96691 [0,1,0,0,0,1|2,0,0]=4 106 B14R2.450 O=C(O)C1=C(Br)C2=C(N=CC=C2)S1 93478 [0,1,0,0,0,1|2,0,0]=4 107 B14R2.450 O=C(O)C1=C(Br)C2=NC=CC=C2S1 P19219 [0,1,0,0,0,1|2,0,0]=4 108 B14R2.450 O=C(O)C1=C(Br)C2=NC=CN=C2S1 92795 [0,1,0,0,0,1|2,0,0]=4 109 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)O1 C76764 [0,1,0,0,0,1|2,0,0]=4 110 B14R2.450 O=C(O)C1=C(Cl)C2=C(N=CC=C2)S1 A10591 [0,1,0,0,0,1|2,0,0]=4 111 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 69397 [0,1,0,0,0,1|1,0,0]=3 112 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 P11324 [0,1,0,0,0,1|2,0,0]=4 113 B14R2.972 COC(=O)C1=CC2=C(N=CN=C2)N1 P12243 [0,1,0,0,0,1|2,0,0]=4 114 B14R2.972 COC(=O)C1=NC2=C(C=CC=C2)N1 Y10077 [0,1,0,0,0,1|2,0,0]=4 115 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)S2 36036 [0,1,0,0,0,1|2,0,0]=4 116 B14R2.4529 CC1=CC2=C(C=N1)NC(C(=O)O)=C2 I10573 [0,1,0,0,0,1|1,0,0]=3 117 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 P16127 [0,1,0,0,0,1|1,0,0]=3 118 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 P12728 [0,1,0,0,0,1|1,0,0]=3 119 B14R2.4529 CC1=NC2=C(C=C1)OC(C(=O)O)=C2 W19720 [0,1,0,0,0,1|2,0,0]=4 120 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Br)=C2)N1 W18188 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.4529 NC1=CC2=C(C=C1)NC(C(=O)O)=C2 33854 [0,1,0,0,0,1|1,0,0]=3 122 B14R2.4529 NC1=CC2=C(C=C1)OC(C(=O)O)=C2 C15800 [0,1,0,0,0,1|2,0,0]=4 123 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 P12339 [0,1,0,0,0,1|1,0,0]=3 124 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)O1 87196 [0,1,0,0,0,1|2,0,0]=4 125 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 66237 [0,1,0,0,0,1|2,0,0]=4 126 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)O1 O11593 [0,1,0,0,0,1|2,0,0]=4 127 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 62484 [0,1,0,0,0,1|1,0,0]=3 128 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)O1 AC2155 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)S1 12913 [0,1,0,0,0,1|2,0,0]=4 130 B14R2.4529 O=C(O)C1=CC2=C(C=CC(F)=C2)O1 W10186 [0,1,0,0,0,1|2,0,0]=4 131 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 82246 [0,1,0,0,0,1|1,0,0]=3 132 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)O1 Y11630 [0,1,0,0,0,1|2,0,0]=4 133 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 37259 [0,1,0,0,0,1|1,0,0]=3 134 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 82211 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=NC=C2N1 73384 [0,1,0,0,0,1|1,0,0]=3 136 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 P11143 [0,1,0,0,0,1|1,0,0]=3 137 B14R2.4529 O=C(O)C1=CC2=CN=C(Cl)C=C2N1 27545 [0,1,0,0,0,1|1,0,0]=3 138 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 38594 [0,1,0,0,0,1|1,0,0]=3 139 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 38418 [0,1,0,0,0,1|1,0,0]=3 140 B14R2.4529 O=C(O)C1=NC2=C(C=C(O)C=C2)N1 P16499 [0,1,0,0,0,1|2,0,0]=4 141 B14R2.4529 O=C(O)C1=NC2=C(N=C(Cl)C=C2)N1 FD7078 [0,1,0,0,0,1|2,0,0]=4 142 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 25669 [0,1,0,0,0,1|1,0,0]=3 143 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)S2 C73325 [0,1,0,0,0,1|2,0,0]=4 144 B14R2.7969 CC1=CC=CC2=C1N=C(C(=O)O)N2 63672 [0,1,0,0,0,1|2,0,0]=4 145 B14R2.7969 CC1=CC=CC2=C1NC(C(=O)O)=C2 74917 [0,1,0,0,0,1|1,0,0]=3 146 B14R2.7969 NC1=CC=CC2=C1C=C(C(=O)O)S2 D96953 [0,1,0,0,0,1|2,0,0]=4 147 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CN=C2N1 P12153 [0,1,0,0,0,1|1,0,0]=3 148 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2F)S1 F13713 [0,1,0,0,0,1|2,0,0]=4 149 B14R2.7969 O=C(O)C1=CC2=C(C=CN=C2Cl)S1 W18097 [0,1,0,0,0,1|2,0,0]=4 150 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 80920 [0,1,0,0,0,1|1,0,0]=3 151 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=NC=C2S1 57193 [0,1,0,0,0,1|2,0,0]=4 152 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 P15443 [0,1,0,0,0,1|1,0,0]=3 153 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 48732 [0,1,0,0,0,1|1,0,0]=3 154 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 27578 [0,1,0,0,0,1|2,0,0]=4 155 B14R2.7969 O=C(O)C1=CC2=C(S1)C(Cl)=NC=N2 SC2471 [0,1,0,0,0,1|2,0,0]=4 156 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 F13950 [0,1,0,0,0,1|2,0,0]=4 157 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 P11517 [0,1,0,0,0,1|2,0,0]=4 158 B14R2.839 CCOC(=O)C1=CC2=C(N1)OC=C2 A12665 [0,2,0,0,0,0|2,0,0]=4 159 B14R2.839 CCOC(=O)C1=CC2=C(N=CS2)N1 P17549 [0,2,0,0,0,0|1,1,0]=4 160 B14R2.10637 COC(=O)C1=CC2=C(N1)C(=O)CC2 P19830 [0,2,0,0,0,0|1,0,1]=4 161 B14R2.5617 CC1=C(C(=O)O)SC2=C1SC=C2Br D85360 [0,2,0,0,0,0|1,1,0]=4 162 B10R1.23 O=C(O)C(=O)C1=CC=CO1 D77791 [0,0,1,0,1,0|1,0,0]=3 163 B12R1.43 C\C(=C/C1=NC=CC=C1)C(=O)O F14501 [0,0,1,0,0,1|2,0,0]=4 164 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 W18568 [0,0,1,0,0,1|2,0,0]=4 165 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=N1 W18216 [0,0,1,0,0,1|2,0,0]=4 166 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 AT20412 [0,0,1,0,0,1|1,0,0]=3 167 B12R1.226 O=C(O)\C=C\C1=CC=CC(I)=C1 C75087 [0,0,1,0,0,1|2,0,0]=4 168 B12R1.113 C=CCC1=CC=C(C(=O)O)C=C1 D93345 [0,0,1,0,0,1|2,0,0]=4 169 B12R1.279 C=CCC1=CC=CC(C(=O)O)=C1 D93325 [0,0,1,0,0,1|2,0,0]=4 170 B12R2.32 O=CC1=CC2=C(C=CC=N2)N1 24171 [1,0,0,0,0,1|1,0,0]=3 171 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 P11151 [1,0,0,0,0,1|2,0,0]=4 172 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 69373 [1,0,0,0,0,1|1,0,0]=3 173 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 W19264 [1,0,0,0,0,1|2,0,0]=4 174 B12R2.32 O=CC1=CC2=C(C=NC=C2)N1 F53415 [1,0,0,0,0,1|1,0,0]=3 175 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 83174 [1,0,0,0,0,1|1,0,0]=3 176 B12R2.32 O=CC1=CC2=CC=CN=C2S1 F30586 [1,0,0,0,0,1|2,0,0]=4 177 B12R2.32 OCC1=CC2=C(C=CC=N2)N1 79325 [1,0,0,0,0,1|1,0,1]=4 178 B12R2.32 OCC1=CC2=C(C=NC=C2)N1 79396 [1,0,0,0,0,1|1,0,1]=4 179 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 F11397 [1,0,0,0,0,1|2,0,0]=4 180 B12R2.44 O=CC1=CC2=C(C=C1)OC=N2 Y10438 [1,0,0,0,0,1|2,0,0]=4 181 B12R2.44 O=CC1=CC2=C(C=CS2)C=C1 F18049 [1,0,0,0,0,1|1,1,0]=4 182 B12R2.44 O=CC1=CN=C2C=CNC2=C1 N10010 [1,0,0,0,0,1|1,0,1]=4 183 B12R2.44 O=CC1=CN=C2NC=CC2=C1 37223 [1,0,0,0,0,1|2,0,0]=4 184 B12R2.44 O=CC1=NC=C2NC=CC2=C1 C72214 [1,0,0,0,0,1|2,0,0]=4 185 B12R2.44 O=CC1=NC=C2OC=CC2=C1 27730 [1,0,0,0,0,1|1,0,0]=3 186 B12R2.44 OCC1=CC2=C(C=N1)OC=C2 Y10033 [1,0,0,0,0,1|1,0,1]=4 187 B14R2.781 O=C(O)C1=CC2=CC=CN=C2N=C1 C71198 [0,0,0,0,0,2|1,0,1]=4 188 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 62874 [0,0,0,0,0,2|2,0,0]=4 189 B14R2.781 O=C(O)C1=CC2=CC=NC=C2N=C1 C13312 [0,0,0,0,0,2|1,0,1]=4 190 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 H10545 [0,0,0,0,0,2|2,0,0]=4 191 B14R2.781 O=C(O)C1=CC2=CN=CC=C2N=C1 K10111 [0,0,0,0,0,2|1,0,1]=4 192 B14R2.781 O=C(O)C1=CC2=CN=CN=C2C=C1 CS1518 [0,0,0,0,0,2|2,0,0]=4 193 B14R2.781 O=C(O)C1=CC2=NC=CC=C2N=C1 A11739 [0,0,0,0,0,2|1,0,1]=4 194 B14R2.781 O=C(O)C1=CC2=NC=NC=C2C=C1 37066 [0,0,0,0,0,2|2,0,0]=4 195 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 P10420 [0,0,0,0,0,2|1,0,1]=4 196 B14R2.781 O=C(O)C1=NC2=NC=CC=C2C=C1 H10544 [0,0,0,0,0,2|1,0,1]=4 197 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)N1 24899 [0,0,0,0,0,2|1,0,0]=3 198 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)O1 25903 [0,0,0,0,0,2|2,0,0]=4 199 B14R2.768 O=C(O)CC1=CC2=C(C=CC=C2)S1 C76425 [0,0,0,0,0,2|2,0,0]=4